N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride

C84H95ClF6N20O21 — CID 162099330

About N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride

N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride (PubChem CID 162099330) has the molecular formula C84H95ClF6N20O21 and a molecular weight of 1870.24 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride.

Molecular Properties

• Compound Name: N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride
• PubChem CID: 162099330
• Molecular Formula: C84H95ClF6N20O21
• Molecular Weight: 1870.24 g/mol
• Exact Mass: 1868.66
• IUPAC Name: N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride
• SMILES: Cl.NC(=O)c1nn(C2CCN(CCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1NC(=O)c1coc(-c2ccnc(CCC(F)(F)F)c2)n1.NC(=O)c1nn(C2CCNCC2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.O=CCOCCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C42H47F3N10O10.C22H26N2O8.C20H21F3N8O3.ClH/c43-42(44,45)10-6-26-22-25(7-11-47-26)39-50-31(24-65-39)37(58)49-30-23-54(52-35(30)36(46)57)27-8-13-53(14-9-27)15-17-63-19-21-64-20-18-62-16-12-48-29-3-1-2-28-34(29)41(61)55(40(28)60)32-4-5-33(56)51-38(32)59;25-8-10-31-12-14-32-13-11-30-9-2-4-15-3-1-5-16-19(15)22(29)24(21(16)28)17-6-7-18(26)23-20(17)27;21-20(22,23)10-27-15-7-11(1-6-26-15)19-29-14(9-34-19)18(33)28-13-8-31(30-16(13)17(24)32)12-2-4-25-5-3-12;/h1-3,7,11,22-24,27,32,48H,4-6,8-10,12-21H2,(H2,46,57)(H,49,58)(H,51,56,59);1,3,5,8,17H,2,4,6-7,9-14H2,(H,23,26,27);1,6-9,12,25H,2-5,10H2,(H2,24,32)(H,26,27)(H,28,33);1H
• InChIKey: AVLOQQYWOFFZBS-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 536.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.24
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride?

The IUPAC name of N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride (CID 162099330) is N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride.

What is the SMILES notation for N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride?

The canonical SMILES for N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride is Cl.NC(=O)c1nn(C2CCN(CCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1NC(=O)c1coc(-c2ccnc(CCC(F)(F)F)c2)n1.NC(=O)c1nn(C2CCNCC2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1.O=CCOCCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride?

The InChIKey is AVLOQQYWOFFZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47F3N10O10.C22H26N2O8.C20H21F3N8O3.ClH/c43-42(44,45)10-6-26-22-25(7-11-47-26)39-50-31(24-65-39)37(58)49-30-23-54(52-35(30)36(46)57)27-8-13-53(14-9-27)15-17-63-19-21-64-20-18-62-16-12-48-29-3-1-2-28-34(29)41(61)55(40(28)60)32-4-5-33(56)51-38(32)59;25-8-10-31-12-14-32-13-11-30-9-2-4-15-3-1-5-16-19(15)22(29)24(21(16)28)17-6-7-18(26)23-20(17)27;21-20(22,23)10-27-15-7-11(1-6-26-15)19-29-14(9-34-19)18(33)28-13-8-31(30-16(13)17(24)32)12-2-4-25-5-3-12;/h1-3,7,11,22-24,27,32,48H,4-6,8-10,12-21H2,(H2,46,57)(H,49,58)(H,51,56,59);1,3,5,8,17H,2,4,6-7,9-14H2,(H,23,26,27);1,6-9,12,25H,2-5,10H2,(H2,24,32)(H,26,27)(H,28,33);1H.

What are the key properties of N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride?

N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride has a molecular weight of 1870.24 g/mol, XLogP of 5.85, 41 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(3,3,3-trifluoropropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]acetaldehyde;hydrochloride is sourced from PubChem (CID 162099330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).